(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C10H18 — CID 134864690

IUPAC(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC[C@H]2CCCCC12
InChIInChI=1S/C10H18/c1-8-6-7-9-4-2-3-5-10(8)9/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1
InChIKeyNOIDOYJLIPVSOK-HWOCKDDLSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 134864690) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID134864690
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCC1CC[C@H]2CCCCC12
InChIInChI=1S/C10H18/c1-8-6-7-9-4-2-3-5-10(8)9/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1
InChIKeyNOIDOYJLIPVSOK-HWOCKDDLSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
2-methylbicyclo[5.2.0]nonane
CID 90842882
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
1,2-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 143144045

Frequently Asked Questions

What is the IUPAC name of (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 134864690) is (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is CC1CC[C@H]2CCCCC12.
What is the InChIKey of (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is NOIDOYJLIPVSOK-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-7-9-4-2-3-5-10(8)9/h8-10H,2-7H2,1H3/t8?,9-,10?/m1/s1.
What are the key properties of (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 134864690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).